bromo(2-fluoro-4-methylphenyl)zinc

• ChemBase ID: 100731
• Molecular Formular: C7H6BrFZn
• Molecular Mass: 254.4049432
• Monoisotopic Mass: 251.89283241
• SMILES: [Zn](c1c(cc(cc1)C)F)Br
• Canonical SMILES: Br[Zn]c1ccc(cc1F)C
• InChI: InChI=1S/C7H6F.BrH.Zn/c1-6-3-2-4-7(8)5-6;;/h2-3,5H,1H3;1H;/q;;+1/p-1
• InChIKey: LPTSWRVHPNSZJN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-fluoro-4-methylphenyl)zinc
• IUPAC Traditional name: bromo(2-fluoro-4-methylphenyl)zinc
• Synonyms: 2-Fluoro-4-methylphenylzinc bromide 0.5M solution in THF

Database IDs

• MDL Number: MFCD02260132
• PubChem SID: 162086633
• PubChem CID: 2778854

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.799
• LogD (pH = 7.4): 2.799
• Log P: 2.799
• Molar Refractivity: 39.4671 cm^3
• Polarizability: 18.077274 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable